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What is the chemical structure of tert-Butyl6, 7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -carboxylate?
Eh, this is a question about the structure of compounds in organic chemistry. The chemical structure of tert-Butyl 6,7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -carboxylate is as follows.
In this compound name, "tert-Butyl", tert-butyl is a branched chain alkyl group containing four carbon atoms, and its structure is -C (CH
). The "6,7-dihydro-1H-pyrazolo [4,3-c] pyridine" part is a fused heterocyclic system. " Pyrazolo "shows a pyrazole ring, which consists of two adjacent nitrogen atoms and three carbon atoms to form a five-membered heterocyclic ring." [4,3-c] "The way in which the epipyrazole ring fuses with the pyridine ring, which is a six-membered aromatic ring containing one nitrogen atom." 6,7-dihydro "means that the double bonds at positions 6 and 7 in the pyrazolo-pyridine ring system are hydrogenated to form a single bond, and" 1H "refers to a hydrogen atom at position 1." 5 (4H) -carboxylate "indicates that there is a carboxyl-derived ester group attached at position 5.
Overall, the structure of this compound is an ester formed by tert-butyl and 6,7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -carboxylic acid. The structure is mainly composed of tert-butyl, pyrazolopyridine fused ring system and 5-position ester group, and the parts are connected to each other to form this unique organic compound structure.
What are the main uses of tert-Butyl6, 7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -carboxylate?
Tert-Butyl 6,7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -carboxylate, Chinese name or 6,7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -tert-butyl formate. This substance is widely used in the field of medicinal chemistry.
First, it is often used as a key intermediate in the development of new drugs. The creation of many innovative drugs relies on it to build a specific molecular structure. Taking a new type of targeted drug for the treatment of a certain type of difficult disease as an example, the construction of its core structure, tert-Butyl 6,7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -carboxylate is the starting basis. After multiple steps of delicate reactions, it gradually becomes a molecular entity with precise pharmacological activity.
Second, in the world of organic synthesis, it is like a delicate key that can open the door to a unique reaction path. Due to the ingenious combination of pyrazopyridine ring system and tert-butoxycarbonyl in its structure, it is endowed with special reaction activity and selectivity. With this, organic chemists can achieve efficient construction of complex compounds, expand the structural diversity of organic molecules, and contribute unique molecular building blocks to the fields of materials science and total synthesis of natural products.
Third, in the journey of pharmaceutical chemistry research, it is a powerful assistant to optimize the properties of drugs. By modifying its structure, such as changing the substituent of tert-butoxycarbonyl or functionalizing the pyrazole and pyridine ring, the solubility, stability, bioavailability and affinity with the target of the drug can be significantly adjusted, thereby improving the overall quality and efficacy of the drug.
What is the synthesis method of tert-Butyl6, 7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -carboxylate?
To prepare tert-Butyl 6,7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -carboxylate, the following method can be followed.
First, a suitable starting material is used, and a pyridine derivative with a specific substituent is often selected, because its structure is related to the core structure of the target product. On this pyridine derivative, a suitable substituent is introduced through a specific reaction to lay the foundation for the subsequent construction of the pyrazole ring.
Then, the pyrazole ring is constructed through a cyclization reaction. This step is extremely critical and is related to the formation of the core heterocycle of the target product. Suitable reagents and reaction conditions can be selected to promote the formation of intramolecular rings. If a specific base is selected as the catalyst, the reaction is heated in an appropriate solvent to cause cyclization and condensation in the molecule to form the structure of pyrazolopyridine.
Furthermore, for the intermediate formed, the protective group is introduced or modified to achieve the structure of tert-butoxycarbonyl in the target product. Tert-butanol is often used with suitable reagents under specific conditions to esterify the carboxyl group with tert-butanol and introduce tert-butoxycarbonyl.
In each step of the reaction, the reaction conditions need to be carefully controlled. Such as temperature, reaction time, proportion of reactants, etc. all need to be strictly controlled. High or low temperature may affect the reaction process and product selectivity; if the reaction time is too short, the reaction may be incomplete, and if it is too long, it may lead to side reactions. The proportion of reactants is inappropriate, and it is difficult to achieve the ideal yield.
After each step of the reaction, the product should be separated and purified. Conventional means such as column chromatography and recrystallization can be used to remove impurities and obtain a relatively pure product. After multiple steps of reaction, separation and purification, tert-Butyl 6,7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -carboxylate can be obtained. This synthesis method needs to be flexibly adjusted and optimized according to specific experimental conditions and raw material characteristics to achieve a good synthesis effect.
What are the physicochemical properties of tert-Butyl6, 7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -carboxylate?
Tert-butyl 6,7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -carboxylate is an organic compound. Its physical and chemical properties are crucial and affect many applications.
Looking at its physical properties, under normal circumstances, it is mostly a white to pale yellow solid. The melting point of this compound has been accurately determined to be in a specific temperature range, but the value may fluctuate due to slight differences in experimental conditions. The exact knowledge of the melting point is of great significance in the determination and identification of the purity of the substance, as if it were a unique "label".
As for solubility, this compound exhibits specific solubility properties in organic solvents. Common alcohols such as methanol and ethanol can be moderately dissolved due to the significant interaction between polar groups contained in their molecular structures and alcoholic solvents. In water, due to the relatively non-polar molecular structure, the solubility is low. This solubility property has a profound impact on the separation, purification and subsequent reaction operations of compounds.
On its chemical properties, the ester groups in tert-butyl 6,7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -carboxylate have high chemical activity. Under acidic or alkaline conditions, hydrolysis reactions can occur. In acidic media, the hydrolysis reaction process is relatively mild, gradually generating corresponding carboxylic acids and alcohols; while under alkaline conditions, the hydrolysis reaction rate is significantly accelerated, almost "rapid progress", rapidly producing carboxylic salts and alcohols. This hydrolysis property, in the field of organic synthesis, is like a "key", which can open the door to many subsequent reactions for the construction of more complex organic molecular structures.
Furthermore, the core structure of pyrazolopyridine endows this compound with certain aromaticity and conjugation system. This structural property makes the compound exhibit unique reactivity to electrophilic reagents in chemical reactions. The electrophilic substitution reaction can occur at a specific location, thus providing the possibility for the introduction of various functional groups, which greatly expands its application potential in medicinal chemistry, materials science and other fields.
Tert-Butyl6, 7-dihydro-1H-pyrazolo [4,3-c] pyridine-5 (4H) -carboxylate What is the price range in the market?
I do not know for sure that tert - Butyl 6,7 - dihydro - 1H - pyrazolo [4,3 - c] pyridine - 5 (4H) -carboxylate is in the market price range. This compound is not a well-known common commodity, and its price often varies due to a variety of factors.
First, purity has a great impact. For high purity, the price must be higher than for low purity because the preparation requires finer processes and more resources. If it needs to be used for precision scientific research experiments, the purity requirements are extremely high and the price is also high.
Second, the relationship between supply and demand is critical. If there is a large increase in demand from many scientific research institutions or enterprises during a certain period of time, and the supply is limited, the price will rise; conversely, if the supply exceeds the demand, the price will decline.
Third, the preparation cost is an important factor. If its synthesis requires complex steps, expensive raw materials and special equipment, the cost is high, and the price will not be low.
Fourth, the sales channels and regions are different. Different suppliers have different pricing due to different operating costs and market strategies; different regions have different economic levels and market competition conditions, and the prices will also be different.
To know the exact price range, you can consult chemical reagent suppliers, such as Sigma-Aldrich, Alfa Aesar and other well-known enterprises, or search on relevant chemical product trading platforms and compare the quotations of different sellers to obtain a more accurate price range.